Basic information
- CAS
117874-91-6- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)c1ccc(Br)cc1- InChIKey
YEBKLAYIVJXMNI-UHFFFAOYSA-N- Molecular formula
- C9H4BrF7
- Average molar mass
- 325.02 g/mol
- Monoisotopic mass
- 323.93846
Names & identifiers
- Preferred name
- 1-Bromo-4-(heptafluoropropyl)benzene
- IUPAC
- 1-bromo-4-(1,1,2,2,3,3,3-heptafluoropropyl)benzene
Names & synonyms
1-Bromo-4-(heptafluoropropyl)benzeneDTXSID60895358117874-91-6RefChem:228586DTXCID9013248744-heptafluoropropyl-bromobenzeneSCHEMBL14577302NS00111035
Database identifiers
- CAS
117874-91-6- PubChem CID
- 85573268
- DTXSID
DTXSID60895358
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
1 records
Compound notes
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